2-[2-(cyclohexen-1-yl)ethyl]-1-ethylguanidine

C11H21N3 — CID 62361344

IUPAC2-[2-(cyclohexen-1-yl)ethyl]-1-ethylguanidine
SMILESCCN/C(N)=N/CCC1=CCCCC1
InChIInChI=1S/C11H21N3/c1-2-13-11(12)14-9-8-10-6-4-3-5-7-10/h6H,2-5,7-9H2,1H3,(H3,12,13,14)
InChIKeyLMSVOXUMLZDFDT-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.80
Rot. Bonds4

About 2-[2-(cyclohexen-1-yl)ethyl]-1-ethylguanidine

2-[2-(cyclohexen-1-yl)ethyl]-1-ethylguanidine (PubChem CID 62361344) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethyl]-1-ethylguanidine.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethyl]-1-ethylguanidine
PubChem CID62361344
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-[2-(cyclohexen-1-yl)ethyl]-1-ethylguanidine
SMILESCCN/C(N)=N/CCC1=CCCCC1
InChIInChI=1S/C11H21N3/c1-2-13-11(12)14-9-8-10-6-4-3-5-7-10/h6H,2-5,7-9H2,1H3,(H3,12,13,14)
InChIKeyLMSVOXUMLZDFDT-UHFFFAOYSA-N
XLogP1.80
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl]-1-ethylguanidine?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl]-1-ethylguanidine (CID 62361344) is 2-[2-(cyclohexen-1-yl)ethyl]-1-ethylguanidine.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethyl]-1-ethylguanidine?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethyl]-1-ethylguanidine is CCN/C(N)=N/CCC1=CCCCC1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethyl]-1-ethylguanidine?
The InChIKey is LMSVOXUMLZDFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-2-13-11(12)14-9-8-10-6-4-3-5-7-10/h6H,2-5,7-9H2,1H3,(H3,12,13,14).
What are the key properties of 2-[2-(cyclohexen-1-yl)ethyl]-1-ethylguanidine?
2-[2-(cyclohexen-1-yl)ethyl]-1-ethylguanidine has a molecular weight of 195.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethyl]-1-ethylguanidine is sourced from PubChem (CID 62361344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).